Information card for entry 2200410

Structure parameters

• Chemical name: trans-2-(2-hydroxyphenyl)-cyclohexanol
• Formula: C12 H16 O2
• Calculated formula: C12 H16 O2
• SMILES: Oc1ccccc1[C@@H]1CCCC[C@H]1O.Oc1ccccc1[C@H]1CCCC[C@@H]1O
• Title of publication: <i>trans</i>-2-(2-Hydroxyphenyl)cyclohexanol
• Authors of publication: Kandasamy Chinnakali; Thangavel Ravishankar; Kamaraj Sriraghavan; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Vayalakkavoor T.Ramakrishnan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: o659 - o660
• a: 9.029 ± 0.0007 Å
• b: 10.0804 ± 0.0008 Å
• c: 12.1751 ± 0.001 Å
• α: 72.031 ± 0.002°
• β: 81.913 ± 0.002°
• γ: 89.545 ± 0.002°
• Cell volume: 1042.86 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1289
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.2227
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes